Enhancing SMM properties in a family of [Mn6] clusters

The complex [Mn(6)O(2)(Et-sao)(6)(O(2)C(11)H(15))(2)(EtOH)(6)] has U(eff) = 80 K.     

A new N,N,O chelate for transition metal chemistry: Fe5 and Fe6 clusters from the use of 6-hydroxymethyl-2,2'-bipyridine (hmbpH)

The initial use of the anion of 6-hydroxymethyl-2,2'-bipyridine (hmbpH) as a chelate in coordination chemistry is described. The syntheses, crystal structures, and magnetochemical characterization are reported of four new iron(III) clusters [Fe5O2(OH)(O2CMe)5(hmbp)3](ClO4)2 (1) and [Fe6O2(OH)2(O2CR)6(hmbp)4](NO3)2 (R=Ph (2), Me (3), But (4); hmbpH=6-hydroxymethyl-2,2'-bipyridine). The reaction of Fe(ClO4)3, hmbpH, and sodium acetate in a 1:1: approximately 4 ratio in EtOH gave 1, and the reaction between [Fe3O(O2CR)6(H2O)3](NO3) (R=Ph, Me, But) and hmbpH in a 1:1 ratio in MeCN gave 2-4, respectively. The core of 1 consists of a [Fe4(mu3-O)2]8+ butterfly unit to which is attached a fifth Fe atom by bridging O atoms. The core of 2-4 also consists of a [Fe4(mu3-O)2]8+ butterfly unit to which are attached an Fe atom on either side by bridging O atoms. Variable-temperature (T) and -field (H) solid-state DC and AC magnetization (M) studies were carried out on complexes 1-4 in the 5.0-300 K range. Fitting of the data revealed that 1 has an S=5/2 ground state spin whereas 2-4 possess an S=5 ground state. Fitting of the M/NmicroB vs H/T data by matrix diagonalization and including only axial zero-field splitting (ZFS) gave values of the axial ZFS parameter |D| of 0.75, 0.36, 0.46, and 0.36 cm(-1) for 1-4, respectively.     

Viscoelastic Properties and Thermal Stability of Nanohydroxyapatite Reinforced Poly-Lactic Acid for Load Bearing Applications

We studied the reinforcing effects of treated and untreated nanohydroxyapatite (NHA) on poly-lactic acid (PLA). The NHA surface was treated with three different types of chemicals; 3-aminopropyl triethoxysilane (APTES), sodium n-dodecyl sulfate (SDS) and polyethylenimine (PEI). The nanocomposite samples were prepared using melt mixing techniques by blending 5 wt% untreated NHA and 5 wt% surface-treated NHA (mNHA). Based on the FESEM images, the interfacial adhesion between the mNHA filler and PLA matrix was improved upon surface treatment in the order of mNHA (APTES) > mNHA (SDS) > mNHA (PEI). As a result, the PLA-5wt%mNHA (APTES) nanocomposite showed increased viscoelastic properties such as storage modulus, damping parameter, and creep permanent deformation compared to pure PLA. Similarly, PLA-5wt%mNHA (APTES) thermal properties improved, attaining higher Tc and Tm than pure PLA, reflecting the enhanced nucleating effect of the mNHA (APTES) filler.     

Electrons, phonons and superconductivity in C16 structured Zr2Fe

Inelastic neutron scattering and low-temperature specific heat measurements are reported for a polycrystalline sample of Zr₂Fe. Lattice dynamical calculation of the phonon spectrum, along with first-principles LMTO electronic structure calculations have been used for deriving the specific heat parameters, the electron–phonon coupling constant and the superconducting transition temperature. The results are in fair agreement with the experimental data.     

Computation of two‐dimensional flows past ram‐air parachutes

Computational results for flow past a two‐dimensional model of a ram‐air parachute with leading edge cut are presented. Both laminar (Re=10⁴) and turbulent (Re=10⁶) flows are computed. A well‐proven stabilized finite element method (FEM), which has been applied to various flow problems earlier, is utilized to solve the incompressible Navier–Stokes equations in the primitive variables formulation. The Baldwin–Lomax model is employed for turbulence closure. Turbulent flow computations past a Clarck‐Y airfoil without a leading edge cut, for α=7.5°, result in an attached flow. The leading edge cut causes the flow to become unsteady and leads to a significant loss in lift and an increase in drag. The flow inside the parafoil cell remains almost stagnant, resulting in a high value of pressure, which is responsible for giving the parafoil its shape. The value of the lift‐to‐drag ratio obtained with the present computations is in good agreement with those reported in the literature. The effect of the size and location of the leading edge cut is studied. It is found that the flow on the upper surface of the parafoil is fairly insensitive to the configuration of the cut. However, the flow quality on the lower surface improves as the leading edge cut becomes smaller. The lift‐to‐drag ratio for various configurations of the leading edge cut varies between 3.4 and 5.8. It is observed that even though the time histories of the aerodynamic coefficients from the laminar and turbulent flow computations are quite different, their time‐averaged values are quite similar. Copyright © 2001 John Wiley & Sons, Ltd.     

A Halogen-Bond-Driven Artificial Chloride-Selective Channel Constructed from 5-Iodoisophthalamide-based Molecules

Despite considerable emphasis on advancing artificial ion channels, progress is constrained by the limited availability of small molecules with the necessary attributes of self-assembly and ion selectivity. In this study, a library of small molecules based on 5-haloisophthalamide and a non-halogenated isophthalamide were examined for their ion transport properties across the lipid bilayer membranes, and the finding demonstrates that the di-hexyl-substituted 5-iodoisophthalamide derivative exhibits the highest level of activity. Furthermore, it was established that the highest active compound facilitates the selective chloride transport that occurs via an antiport-mediated mechanism. The crystal structure of the compound unveils a distinctive self-assembly of molecules, forming a zig-zag channel pore that is well-suited for the permeation of anions. Planar bilayer conductance measurements proved the formation of chloride selective channels. A molecular dynamics simulation study, relying on the self-assembled component derived from the crystal structure, affirmed the paramount significance of intermolecular hydrogen bonding in the formation of supramolecular barrel-rosette structures that span the bilayer. Furthermore, it was demonstrated that the transport of chloride across the lipid bilayer membrane is facilitated by the synergistic effects of halogen bonding and hydrogen bonding within the channel.     

Gastroprotective Effects of Biological Macromolecule: Polysaccharides

The large molecular weight of the macromolecules sets them apart from all other components. This may range from 10 000 to over a million. While the molecular weight of other plant metabolites is seldom beyond 1000. Chemically, macromolecules are made up of long chains and little “building pieces,” which are joined covalently in a variety of ways. Biological macromolecules are large, naturally occurring cellular building blocks that play a range of crucial roles in the development and existence of living organisms. Biomacromolecules are essential in the biomedical field and other related professions. They feature a variety of beneficial properties, including excellent biodegradability, suitable mechanical strength, enhanced bioavailability, etc. They also have significant biocompatibility. They display a variety of biological characteristics, such as antimalignant, antidiabetic, antibacterial, antioxidant, and immunomodulatory. The use of essential carbohydrates including alginate, chitosan, pectin, starches, carrageenan, fucoidan, etc. is common in commercial applications. Natural substance-based pharmacotherapy is now considered to be a highly promising future alternative to conventional medicine. Along with proteins and polynucleotides, polysaccharide is a vital biomacromolecule that has a crucial function in the growth and expansion of living things. A crucial element of higher plants, cell membranes of animal, and cell walls of microbes is polysaccharide. It is intimately tied to physiological processes as well. The importance of polysaccharides as a significant class of bioactive natural compounds has received more attention recently. Numerous studies have shown that natural polysaccharides contain bioactivities, which have led to the use of polysaccharides in the treatment of illness. The many parts of the research findings on the bioactivities of polysaccharides in gastro-protection are included in this paper.     

Synthesis of Naked-eye Detectable Fluorescent 2<Emphasis Type="Italic">H-</Emphasis>chromen-2-One 2, 6-Dicyanoanilines: Effect of Substituents and pH on Its Luminous Behavior

A variety of new coumarin derivatives containing C-4 bridged 2,6-dicyanoanilines (4a-4d) were synthesized via multicomponent one pot approach. These novel sensors were characterized by spectral analysis and a series of pH sensing fluorescence studies were performed, the results indicating that the sensors are highly selective and more effective at various pH. The fluorescence colour changes at different pH could be directly detected by naked eyes.     

Adsorption of Safranin-T from wastewater using waste materials- activated carbon and activated rice husks

Textile effluents are major industrial polluters because of high color content, about 15% unfixed dyes and salts. The present paper is aimed to investigate and develop cheap adsorption methods for color removal from wastewater using waste materials activated carbon and activated rice husk-as adsorbents. The method was employed for the removal of Safranin-T and the influence of various factors such as adsorbent dose, adsorbate concentration, particle size, temperature, contact time, and pH was studied. The adsorption of the dye over both the adsorbents was found to follow Langmuir and Freundlich adsorption isotherm models. Based on these models, different useful thermodynamic parameters have been evaluated for both the adsorption processes. The adsorption of Safranin-T over activated carbon and activated rice husks follows first-order kinetics and the rate constants for the adsorption processes decrease with increase in temperature.